Vitas-M small molecule compound

N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-3-phenyl-5,6-dihydro-1,4-oxathiine-2-carboxamide

Catalog ID
STK635444
SMILES Fc1ccc(cc1)CN(C(=O)C1=C(SCCO1)c1ccccc1)C1CCS(=O)(=O)C1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C22H22FNO4S2 MW 447.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22FNO4S2/c23-18-8-6-16(7-9-18)14-24(19-10-13-30(26,27)15-19)22(25)20-21(29-12-11-28-20)17-4-2-1-3-5-17/h1-9,19H,10-15H2
InChIKey
ZHHSDFRDCAAQJF-UHFFFAOYSA-N
Synonyms
1018068-02-4
1018068024
C1CS(=O)(=O)CC1N(CC2=CC=C(C=C2)F)C(=O)C3=C(SCCO3)C4=CC=CC=C4
InChI=1SC22H22FNO4S2c23188616(7918)1424(19101330(2627)1519)22(25)2021(2912112820)174213517h1919H1015H2
MFCD12209718
N(11dioxidotetrahydrothiophen3yl)N(4fluorobenzyl)3phenyl56dihydro14oxathiine2carboxamide
N(11dioxothiolan3yl)N((4fluorophenyl)methyl)5phenyl23dihydro14oxathiine6carboxamide
ZINC000020744517
ZINC000020744518

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.